[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C32H35NO5S MolecularWeight: 545.689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C32H35NO5S/c1-23-11-17-28(18-12-23)39(36,37)33-20-19-26-9-5-6-10-29(26)30(33)21-32(35)38-22-31(34)27-15-13-25(14-16-27)24-7-3-2-4-8-24/h5-6,9-18,24,30H,2-4,7-8,19-22H2,1H3